[1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] ester IUPAC Name: [1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-[3-keto-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]-1-methyl-ethyl] ester Formula: C21H14F3N3O6S MolecularWeight: 493.41257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14F3N3O6S/c1-10(33-20(30)17-7-11-6-13(27(31)32)3-5-16(11)34-17)19(29)26-9-18(28)25-14-8-12(21(22,23)24)2-4-15(14)26/h2-8,10H,9H2,1H3,(H,25,28)